materialsproject / MPContribsLinks
Platform for materials scientists to contribute and disseminate their materials data through Materials Project
☆39Updated this week
Alternatives and similar repositories for MPContribs
Users that are interested in MPContribs are comparing it to the libraries listed below
Sorting:
- pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.☆47Updated this week
- ☆22Updated 5 years ago
- Project to setup and analyze interface calculations using density functional theory.☆23Updated 4 months ago
- Atomistic Manipulation Toolkit☆36Updated 5 months ago
- Specification of a common REST API for access to materials databases☆100Updated last month
- AiiDA tutorials web site☆24Updated 3 months ago
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆69Updated last year
- A computational framework to automate point defect calculations☆38Updated 7 years ago
- A python-based crystal viewer built upon the fresnel and pymatgen libraries.☆16Updated last year
- ☆21Updated last year
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆72Updated 8 months ago
- Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook - based o…☆36Updated this week
- BET Surface Identification - a program that fully implements the rouquerol criteria☆21Updated 2 years ago
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆14Updated last year
- Be a master builder of databases of material properties. Avoid the Kragle.☆64Updated last week
- A module for ASE for elastic constants calculation.☆47Updated 3 weeks ago
- LAMMPS plugin for AiiDA☆26Updated this week
- Defect analysis modules for pymatgen☆61Updated this week
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆44Updated 4 months ago
- Python library written in C++ for calculation of local atomic structural environment☆69Updated last year
- A one-stop-shop for handling data in computational spectroscopy☆17Updated this week
- Library for Bayesian error estimation functionals for use in density functional theory codes☆28Updated 2 years ago
- An algorithm to match crystal structures atom-to-atom☆53Updated 2 years ago
- More efficient and faster version of pyscal☆26Updated this week
- Thermodynamic Phase Diagram Generator☆57Updated 3 years ago
- A Python library to calculate elastic properties of materials.☆59Updated 6 months ago
- Python package to simulate differential absorption spectra of crystals from first principles☆33Updated last month
- Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials Platform for Data Scienc…☆26Updated last week
- General purpose tools for high-throughput catalysis☆102Updated 8 months ago
- Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the…☆51Updated 3 weeks ago